2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide

C28H28N2O4 — CID 55797864

IUPAC2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide
SMILESCC(C)OCc1ccc(CNC(=O)C(Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C28H28N2O4/c1-19(2)34-18-22-14-12-21(13-15-22)17-29-26(31)25(16-20-8-4-3-5-9-20)30-27(32)23-10-6-7-11-24(23)28(30)33/h3-15,19,25H,16-18H2,1-2H3,(H,29,31)
InChIKeyAWFJVPQBKMPHEQ-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.14
Rot. Bonds9

About 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide

2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide (PubChem CID 55797864) has the molecular formula C28H28N2O4 and a molecular weight of 456.54 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide
PubChem CID55797864
Molecular FormulaC28H28N2O4
Molecular Weight456.54 g/mol
Exact Mass456.20
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide
SMILESCC(C)OCc1ccc(CNC(=O)C(Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C28H28N2O4/c1-19(2)34-18-22-14-12-21(13-15-22)17-29-26(31)25(16-20-8-4-3-5-9-20)30-27(32)23-10-6-7-11-24(23)28(30)33/h3-15,19,25H,16-18H2,1-2H3,(H,29,31)
InChIKeyAWFJVPQBKMPHEQ-UHFFFAOYSA-N
XLogP4.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 19739690
2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]ethyl-di(propan-2-yl)azanium
CID 8927721
2-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]propyl]-3-phenylpropanamide
CID 4158596
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-3-phenylpropanamide
CID 24509005
2-(1,3-dioxoisoindol-2-yl)-N-methoxy-3-phenylpropanamide
CID 118343365
(2S)-N-benzyl-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide
CID 2380507
2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(1-phenylethyl)propanamide
CID 3148598
(2S)-N-[(2S)-butan-2-yl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 2597519
2-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenylpropanamide
CID 108760210
2-(1,3-dioxoisoindol-2-yl)-N-pent-4-enyl-3-phenylpropanamide
CID 151805850
(2S)-N-(cyclohexylmethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 2666747
N-[2-(3-chloropropanoylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 108571884

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide (CID 55797864) is 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide is CC(C)OCc1ccc(CNC(=O)C(Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide?
The InChIKey is AWFJVPQBKMPHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O4/c1-19(2)34-18-22-14-12-21(13-15-22)17-29-26(31)25(16-20-8-4-3-5-9-20)30-27(32)23-10-6-7-11-24(23)28(30)33/h3-15,19,25H,16-18H2,1-2H3,(H,29,31).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide?
2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide has a molecular weight of 456.54 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 55797864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).